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Home > Nitro Compounds > 20743-51-5
20743-51-5 | 1H-Tetrazole, 1-methyl-5-(4-nitrophenyl)-
CAS No: 20743-51-5 Catalog No: AG002J23 MDL No:
Product Description
Catalog Number:
AG002J23
Chemical Name:
1H-Tetrazole, 1-methyl-5-(4-nitrophenyl)-
CAS Number:
20743-51-5
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
IUPAC Name:
1-methyl-5-(4-nitrophenyl)tetrazole
InChI:
InChI=1S/C8H7N5O2/c1-12-8(9-10-11-12)6-2-4-7(5-3-6)13(14)15/h2-5H,1H3
InChI Key:
ANAZYJLZMITTEC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nnnn1C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.177g/mol
Monoisotopic Mass:
205.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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